SCHEMBL3561244

SCHEMBL3561244

CCc1ccc(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LIMK2 P53671 7/20 0.56
POLB P06746 1/20 0.54
HTR6 P50406 5/20 0.54
LIMK1 P53667 4/20 0.50
TAS2R14 Q9NYV8 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IKBKB O14920 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3555871 0.94 POLB (0.60) LIMK2POLBHTR6LIMK1MEN1
SCHEMBL3555895 0.93 POLB (0.61) ALDH1A1LIMK2POLBHTR6MEN1
SCHEMBL3556538 0.91 METAP2 (0.56) LIMK2POLBHTR6LIMK1
SCHEMBL3553771 0.91 CA12 (0.61) ALDH1A1LIMK2POLBHTR6LIMK1
SCHEMBL3556021 0.91 KDM1A (0.59) ALDH1A1LIMK2POLBHTR6LIMK1
SCHEMBL3555628 0.90 HTR6 (0.65) LIMK2POLBHTR6LIMK1MEN1
SCHEMBL3559499 0.88 MAPT (0.60) LIMK2POLBHTR6LIMK1MEN1
SCHEMBL3555180 0.88 ALDH1A1 (0.57) ALDH1A1LIMK2POLBMEN1MAPT
SCHEMBL3554836 0.88 POLB (0.64) LIMK2POLBHTR6LIMK1
SCHEMBL3556294 0.88 SLC16A3 (0.61) ALDH1A1LIMK2POLBHTR6TAS2R14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 ALDH1A1 61/4885LIMK2 3634/4885POLB 3962/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.